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DocumentationIdentifier: MM386979
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386979 |
| SMILES |
CCC(=O)C1NC1C#N
|
| InChIKey |
RLKPQRUPCRYDJP-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM273570
Similarity: 0.8102
Similarity to MM273570
| Tanimoto metric | 0.8102 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7829 |
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| Cosine metric | 0.8848 |
| Dice metric | 0.8782 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM410063
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| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+46 more
